(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol

C17H19FN2O2 — CID 100698925

IUPAC(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCOc1ncccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-22-17-13(3-2-8-19-17)10-20-11-15(21)9-16(20)12-4-6-14(18)7-5-12/h2-8,15-16,21H,9-11H2,1H3/t15-,16+/m0/s1
InChIKeyNJOAPFRTVPGWGZ-JKSUJKDBSA-N
MW302.35 g/mol
LogP2.54
Rot. Bonds4

About (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol

(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 100698925) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID100698925
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCOc1ncccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-22-17-13(3-2-8-19-17)10-20-11-15(21)9-16(20)12-4-6-14(18)7-5-12/h2-8,15-16,21H,9-11H2,1H3/t15-,16+/m0/s1
InChIKeyNJOAPFRTVPGWGZ-JKSUJKDBSA-N
XLogP2.54
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol (CID 100698925) is (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol is COc1ncccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is NJOAPFRTVPGWGZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-22-17-13(3-2-8-19-17)10-20-11-15(21)9-16(20)12-4-6-14(18)7-5-12/h2-8,15-16,21H,9-11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol?
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 302.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 100698925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).